| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Ayala, Paola
University of Vienna
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (13/13 displayed)
- 2024Temperature dependence of the Raman spectrum of orthorhombic Bi2Se3
- 2022Highly Sensitive and Selective Formaldehyde Gas Sensors Based on Polyvinylpyrrolidone/Nitrogen-Doped Double-Walled Carbon Nanotubescitations
- 2021The influence of Cr and Ni doping on the microstructure of oxygen containing diamond-like carbon filmscitations
- 2021Photothermal synthesis of confined carbynecitations
- 2019Roles of Precursor Conformation and Adatoms in Ullmann Coupling: An Inverted Porphyrin on Cu(111)citations
- 2019Towards controllable inner chirality in double-walled carbon nanotubescitations
- 2016Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubescitations
- 2013Hybrid Carbon Nanotube Networks as Efficient Hole Extraction Layers for Organic Photovoltaicscitations
- 2011Nitrogen-Doped Single-Walled Carbon Nanotube Thin Films Exhibiting Anomalous Sheet Resistancescitations
- 2011Mechanism of the initial stages of nitrogen-doped single-walled carbon nanotube growthcitations
- 2010Evidence for substitutional boron in doped single-walled carbon nanotubescitations
- 2009Carbon nanotube synthesis via ceramic catalystscitations
- 2008A one step approach to B-doped single-walled carbon nanotubescitations
Places of action
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article
Mechanism of the initial stages of nitrogen-doped single-walled carbon nanotube growth
Abstract
We have studied the mechanism of the initial stages of nitrogen-doped single-walled carbon nanotube growth illustrated for the case of a floating catalyst chemical vapor deposition system, which uses carbon monoxide (CO) and ammonia (NH3) as precursors and iron as a catalyst. We performed first-principles electronic-structure calculations, fully incorporating the effects of spin polarization and magnetic moments, to investigate the bonding and chemistry of CO, NH3, and their fragments on a model Fe-55 icosahedral cluster. A possible dissociation path for NH3 to atomic nitrogen and hydrogen was identified, with a reaction barrier consistent with an experimentally determined value we measured by tandem infrared and mass spectrometry. Both C-C and C-N bond formation reactions were found to be barrierless and exothermic, while a parasitic reaction of HCN formation had a barrier of over 1 eV.